3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-N-[(2-morpholin-4-ylphenyl)methyl]benzamide

Systemtic Name: 3-[2-(2-azanylpyrimidin-5-yl)ethynyl]-N-[(2-morpholin-4-ylphenyl)methyl]benzamide Openeye Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[(2-morpholinophenyl)methyl]benzamide CAS Name: 3-[2-(2-amino-5-pyrimidinyl)ethynyl]-N-[[2-(4-morpholinyl)phenyl]methyl]benzamide IUPAC Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-[(2-morpholin-4-ylphenyl)methyl]benzamide Traditional Name: 3-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(2-morpholinobenzyl)benzamide Formula: C24H23N5O2 MolecularWeight: 413.47172

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=CC=C2CNC(=O)C3=CC=CC(=C3)C#CC4=CN=C(N=C4)N

Isomeric SMILES

C1COCCN1C2=CC=CC=C2CNC(=O)C3=CC=CC(=C3)C#CC4=CN=C(N=C4)N

InChI

InChI=1S/C24H23N5O2/c25-24-27-15-19(16-28-24)9-8-18-4-3-6-20(14-18)23(30)26-17-21-5-1-2-7-22(21)29-10-12-31-13-11-29/h1-7,14-16H,10-13,17H2,(H,26,30)(H2,25,27,28)